2-hydroxypropane-1,2,3-tricarboxylate;oxalate;palladium;palladium(2+)

C8H5O11Pd2-3 — CID 175693009

IUPAC2-hydroxypropane-1,2,3-tricarboxylate;oxalate;palladium;palladium(2+)
SMILESO=C([O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Pd+2].[Pd]
InChIInChI=1S/C6H8O7.C2H2O4.2Pd/c7-3(8)1-6(13,5(11)12)2-4(9)10;3-1(4)2(5)6;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);(H,3,4)(H,5,6);;/q;;;+2/p-5
InChIKeyIBBFGOGMBARPKU-UHFFFAOYSA-I
MW489.96 g/mol
LogP-8.77
Rot. Bonds5

About 2-hydroxypropane-1,2,3-tricarboxylate;oxalate;palladium;palladium(2+)

2-hydroxypropane-1,2,3-tricarboxylate;oxalate;palladium;palladium(2+) (PubChem CID 175693009) has the molecular formula C8H5O11Pd2-3 and a molecular weight of 489.96 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylate;oxalate;palladium;palladium(2+).

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylate;oxalate;palladium;palladium(2+)
PubChem CID175693009
Molecular FormulaC8H5O11Pd2-3
Molecular Weight489.96 g/mol
Exact Mass488.79
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylate;oxalate;palladium;palladium(2+)
SMILESO=C([O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Pd+2].[Pd]
InChIInChI=1S/C6H8O7.C2H2O4.2Pd/c7-3(8)1-6(13,5(11)12)2-4(9)10;3-1(4)2(5)6;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);(H,3,4)(H,5,6);;/q;;;+2/p-5
InChIKeyIBBFGOGMBARPKU-UHFFFAOYSA-I
XLogP-8.77
TPSA220.88 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.96
LogP ≤ 5-8.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate
CID 19784307
dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 15251596
pentapotassium;2-hydroxypropane-1,2,3-tricarboxylate;diacetate
CID 173491967
hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide
CID 19774871
bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate
CID 21120021
dysprosium(3+);2-hydroxypropane-1,2,3-tricarboxylate
CID 25679
tris(barium(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)
CID 90472924
2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 22361291
bismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen
CID 170844588
bismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 175376328
nonasodium;tris(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 172827703
bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate
CID 2735068

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylate;oxalate;palladium;palladium(2+)?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylate;oxalate;palladium;palladium(2+) (CID 175693009) is 2-hydroxypropane-1,2,3-tricarboxylate;oxalate;palladium;palladium(2+).
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylate;oxalate;palladium;palladium(2+)?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylate;oxalate;palladium;palladium(2+) is O=C([O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Pd+2].[Pd].
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylate;oxalate;palladium;palladium(2+)?
The InChIKey is IBBFGOGMBARPKU-UHFFFAOYSA-I. The full InChI is InChI=1S/C6H8O7.C2H2O4.2Pd/c7-3(8)1-6(13,5(11)12)2-4(9)10;3-1(4)2(5)6;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);(H,3,4)(H,5,6);;/q;;;+2/p-5.
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylate;oxalate;palladium;palladium(2+)?
2-hydroxypropane-1,2,3-tricarboxylate;oxalate;palladium;palladium(2+) has a molecular weight of 489.96 g/mol, XLogP of -8.77, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,2,3-tricarboxylate;oxalate;palladium;palladium(2+) is sourced from PubChem (CID 175693009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).